General Information of the Compound
| Compound ID |
CP0546958
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| Compound Name |
(3S,4R)-3-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C20H16ClF2N3O3
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| Molecular Weight |
419.815
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(on2)-c2ccc(Cl)cc2)c(F)c1
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| InChI |
InChI=1S/C20H16ClF2N3O3/c1-28-12-6-14(22)18(15(23)7-12)13-9-24-20(27)19(13)25-17-8-16(29-26-17)10-2-4-11(21)5-3-10/h2-8,13,19H,9H2,1H3,(H,24,27)(H,25,26)/t13-,19-/m0/s1
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| InChIKey |
DSRNQXXNCQBFOK-DJJJIMSYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2